1-{[(2S,4S)-1-(3,4-difluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(3,4-difluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(3,4-difluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1455 |
| Compound Name: | 1-{[(2S,4S)-1-(3,4-difluorobenzoyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 395.38 |
| Molecular Formula: | C18 H20 F3 N5 O2 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(c2ccc(c(c2)F)F)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6585 |
| logD: | 1.6585 |
| logSw: | -2.1119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.005 |
| InChI Key: | MSYKDILSTWMPFX-OLZOCXBDSA-N |